| SpectraBase Spectrum ID |
3bKdf29dK3y |
| Name |
3,5-pyridinedicarbonitrile, 2-amino-4-(1-methylethyl)-6-[[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]thio]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.094311562 u |
| Formula |
C21H16N4O3S |
| InChI |
InChI=1S/C21H16N4O3S/c1-11(2)18-14(8-22)19(24)25-20(15(18)9-23)29-10-16(26)13-7-12-5-3-4-6-17(12)28-21(13)27/h3-7,11H,10H2,1-2H3,(H2,24,25) |
| InChIKey |
HHCAFATZJAYVMW-UHFFFAOYSA-N |
| Molecular Weight |
404.444 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_16599 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: CHC97/12074 |
![2-Amino-4-isopropyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile](/api/spectrum/3bKdf29dK3y/structure.png?h=300&w=458 "2-Amino-4-isopropyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile")
